VALNIVUDINE HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H35N3O6.ClH
Molecular Weight	534.044
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CCCCCC1=CC=C(C=C1)C2=CC3=CN([C@H]4C[C@H](O)[C@@H](COC(=O)[C@@H](N)C(C)C)O4)C(=O)N=C3O2

InChI

InChIKey=CAHTYTZOAVUCIU-ZMQZINMSSA-N

InChI=1S/C27H35N3O6.ClH/c1-4-5-6-7-17-8-10-18(11-9-17)21-12-19-14-30(27(33)29-25(19)36-21)23-13-20(31)22(35-23)15-34-26(32)24(28)16(2)3;/h8-12,14,16,20,22-24,31H,4-7,13,15,28H2,1-3H3;1H/t20-,22+,23+,24-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C27H35N3O6
Molecular Weight	497.5833
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:00:30 UTC 2023` Edited by `admin` on `Sat Dec 16 05:00:30 UTC 2023`
Record UNII	L4N5F436FO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VALNIVUDINE HYDROCHLORIDE

Common Name

English

L-VALINE, 5'-ESTER WITH 3-(2-DEOXY-.BETA.-D-ERYTHRO-PENTOFURANOSYL)-6-(4-PENTYLPHENYL)FURO(2,3-D)PYRIMIDIN-2(3H)-ONE HYDROCHLORIDE

Systematic Name

English

FV-100

Common Name

English

Code System Code Type Description

PUBCHEM

71587897

Created by admin on Sat Dec 16 05:00:30 UTC 2023 , Edited by admin on Sat Dec 16 05:00:30 UTC 2023

PRIMARY

EPA CompTox

DTXSID40241910

Created by admin on Sat Dec 16 05:00:30 UTC 2023 , Edited by admin on Sat Dec 16 05:00:30 UTC 2023

PRIMARY

CAS

956483-03-7

Created by admin on Sat Dec 16 05:00:30 UTC 2023 , Edited by admin on Sat Dec 16 05:00:30 UTC 2023

PRIMARY

FDA UNII

L4N5F436FO

Created by admin on Sat Dec 16 05:00:30 UTC 2023 , Edited by admin on Sat Dec 16 05:00:30 UTC 2023

PRIMARY

Related Record Type Details


					0NJ5F6D4U7

VALNIVUDINE

PARENT -> SALT/SOLVATE